CID 65391961

(1,4,4-trimethylcyclohexyl)methanamine

Structural Information

Molecular Formula
C10H21N
SMILES
CC1(CCC(CC1)(C)CN)C
InChI
InChI=1S/C10H21N/c1-9(2)4-6-10(3,8-11)7-5-9/h4-8,11H2,1-3H3
InChIKey
ZODLBQCWLXDQOX-UHFFFAOYSA-N
Compound name
(1,4,4-trimethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 135.9
[M+Na]+ 178.156618 141.8
[M-H]- 154.160124 138.9
[M+NH4]+ 173.201223 160.6
[M+K]+ 194.130558 140.5
[M+H-H2O]+ 138.164660 132.0
[M+HCOO]- 200.165601 156.2
[M+CH3COO]- 214.181251 180.1
[M+Na-2H]- 176.142066 141.5
[M]+ 155.16685142 131.2
[M]- 155.16794858 131.2
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