CID 165940568

2680531-39-7

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]+ 281.222376 172.4
[M+Na]+ 303.204318 172.8
[M-H]- 279.207824 166.4
[M+NH4]+ 298.248923 194.7
[M+K]+ 319.178258 170.6
[M+H-H2O]+ 263.212360 167.3
[M+HCOO]- 325.213301 177.4
[M+CH3COO]- 339.228951 212.3
[M+Na-2H]- 301.189766 181.3
[M]+ 280.21455142 172.3
[M]- 280.21564858 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.