CID 550846

N,4,4-trimethylcyclohexan-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1(CCC(CC1)NC)C
InChI
InChI=1S/C9H19N/c1-9(2)6-4-8(10-3)5-7-9/h8,10H,4-7H2,1-3H3
InChIKey
DZLKSRBEYWGUNR-UHFFFAOYSA-N
Compound name
N,4,4-trimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 132.3
[M+Na]+ 164.14097 137.5
[M-H]- 140.14447 135.5
[M+NH4]+ 159.18557 155.7
[M+K]+ 180.11491 136.6
[M+H-H2O]+ 124.14901 127.6
[M+HCOO]- 186.14995 153.5
[M+CH3COO]- 200.16560 177.9
[M+Na-2H]- 162.12642 138.2
[M]+ 141.15120 127.7
[M]- 141.15230 127.7
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