CID 54064485

3-cycloheptylpropan-1-amine

Structural Information

Molecular Formula
C10H21N
SMILES
C1CCCC(CC1)CCCN
InChI
InChI=1S/C10H21N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-9,11H2
InChIKey
PZJDCELJYZBWDK-UHFFFAOYSA-N
Compound name
3-cycloheptylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

155.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 133.4
[M+Na]+ 178.156618 134.5
[M-H]- 154.160124 136.2
[M+NH4]+ 173.201223 152.1
[M+K]+ 194.130558 137.1
[M+H-H2O]+ 138.164660 128.0
[M+HCOO]- 200.165601 152.8
[M+CH3COO]- 214.181251 181.6
[M+Na-2H]- 176.142066 137.1
[M]+ 155.16685142 124.7
[M]- 155.16794858 124.7
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