CID 154577364

1998236-29-5

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC1(CCC(CC1)(CN)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H28N2O2/c1-12(2,3)18-11(17)16-14(10-15)8-6-13(4,5)7-9-14/h6-10,15H2,1-5H3,(H,16,17)
InChIKey
QTKVXSGSCFWWHO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 161.9
[M+Na]+ 279.20432 165.9
[M-H]- 255.20782 164.2
[M+NH4]+ 274.24892 182.2
[M+K]+ 295.17826 165.2
[M+H-H2O]+ 239.21236 157.9
[M+HCOO]- 301.21330 179.9
[M+CH3COO]- 315.22895 199.6
[M+Na-2H]- 277.18977 165.8
[M]+ 256.21455 158.9
[M]- 256.21565 158.9
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.