CID 117274

25724-35-0

Structural Information

Molecular Formula
C10H22N2O
SMILES
CC1(CC(CC(C1)(N)O)(C)CN)C
InChI
InChI=1S/C10H22N2O/c1-8(2)4-9(3,7-11)6-10(12,13)5-8/h13H,4-7,11-12H2,1-3H3
InChIKey
CECAZZROEIAEGC-UHFFFAOYSA-N
Compound name
1-amino-3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.17322 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.180496 140.9
[M+Na]+ 209.162438 147.6
[M-H]- 185.165944 142.5
[M+NH4]+ 204.207043 165.2
[M+K]+ 225.136378 145.8
[M+H-H2O]+ 169.170480 138.3
[M+HCOO]- 231.171421 160.2
[M+CH3COO]- 245.187071 185.2
[M+Na-2H]- 207.147886 146.2
[M]+ 186.17267142 135.1
[M]- 186.17376858 135.1
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

patents stripe