CID 85889

15647-11-7

Structural Information

Molecular Formula
C10H21NO
SMILES
CC1(CC(CC(C1)(C)CN)O)C
InChI
InChI=1S/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3
InChIKey
YFEAYNIMJBHJCM-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1030
Patents

171.16231 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 139.1
[M+Na]+ 194.151528 145.5
[M-H]- 170.155034 140.9
[M+NH4]+ 189.196133 162.7
[M+K]+ 210.125468 143.8
[M+H-H2O]+ 154.159570 135.7
[M+HCOO]- 216.160511 158.0
[M+CH3COO]- 230.176161 180.7
[M+Na-2H]- 192.136976 143.6
[M]+ 171.16176142 134.4
[M]- 171.16285858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe