CID 165940568

Tert-butyl n-[1-(aminomethyl)adamantan-2-yl]carbamate

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CC(C)(C)OC(=O)NC1C2CC3CC(C2)CC1(C3)CN
InChI
InChI=1S/C16H28N2O2/c1-15(2,3)20-14(19)18-13-12-5-10-4-11(6-12)8-16(13,7-10)9-17/h10-13H,4-9,17H2,1-3H3,(H,18,19)
InChIKey
LNGCVYCGDPKUPD-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)-2-adamantyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 172.4
[M+Na]+ 303.20432 172.8
[M-H]- 279.20782 166.4
[M+NH4]+ 298.24892 194.7
[M+K]+ 319.17826 170.6
[M+H-H2O]+ 263.21236 167.3
[M+HCOO]- 325.21330 177.4
[M+CH3COO]- 339.22895 212.3
[M+Na-2H]- 301.18977 181.3
[M]+ 280.21455 172.3
[M]- 280.21565 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.