CID 21421303

1-(1-methylcyclohexyl)ethan-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C1(CCCCC1)C)N
InChI
InChI=1S/C9H19N/c1-8(10)9(2)6-4-3-5-7-9/h8H,3-7,10H2,1-2H3
InChIKey
VZQYSLQGEVNWHD-UHFFFAOYSA-N
Compound name
1-(1-methylcyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 134.3
[M+Na]+ 164.14097 138.4
[M-H]- 140.14447 136.7
[M+NH4]+ 159.18557 157.1
[M+K]+ 180.11491 137.6
[M+H-H2O]+ 124.14901 129.5
[M+HCOO]- 186.14995 153.9
[M+CH3COO]- 200.16560 177.0
[M+Na-2H]- 162.12642 138.5
[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