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

55
Patents

186.17322 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.18050 140.9
[M+Na]+ 209.16244 147.6
[M-H]- 185.16594 142.5
[M+NH4]+ 204.20704 165.2
[M+K]+ 225.13638 145.8
[M+H-H2O]+ 169.17048 138.3
[M+HCOO]- 231.17142 160.2
[M+CH3COO]- 245.18707 185.2
[M+Na-2H]- 207.14789 146.2
[M]+ 186.17267 135.1
[M]- 186.17377 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