CID 18175320

1-(prop-2-en-1-yl)cyclohexan-1-amine

Structural Information

Molecular Formula
C9H17N
SMILES
C=CCC1(CCCCC1)N
InChI
InChI=1S/C9H17N/c1-2-6-9(10)7-4-3-5-8-9/h2H,1,3-8,10H2
InChIKey
MMTYLLMGHVPBED-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

928
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.4
[M+Na]+ 162.12532 137.1
[M-H]- 138.12882 134.7
[M+NH4]+ 157.16992 155.2
[M+K]+ 178.09926 135.1
[M+H-H2O]+ 122.13336 127.5
[M+HCOO]- 184.13430 153.2
[M+CH3COO]- 198.14995 175.2
[M+Na-2H]- 160.11077 137.9
[M]+ 139.13555 125.8
[M]- 139.13665 125.8
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