CID 65087149

4-(propan-2-yl)cycloheptan-1-amine

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C)C1CCCC(CC1)N
InChI
InChI=1S/C10H21N/c1-8(2)9-4-3-5-10(11)7-6-9/h8-10H,3-7,11H2,1-2H3
InChIKey
VXEVPIVWDPNFBM-UHFFFAOYSA-N
Compound name
4-propan-2-ylcycloheptan-1-amine
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 132.8
[M+Na]+ 178.156618 134.6
[M-H]- 154.160124 136.1
[M+NH4]+ 173.201223 151.8
[M+K]+ 194.130558 137.9
[M+H-H2O]+ 138.164660 127.7
[M+HCOO]- 200.165601 151.3
[M+CH3COO]- 214.181251 183.4
[M+Na-2H]- 176.142066 134.8
[M]+ 155.16685142 123.8
[M]- 155.16794858 123.8
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

No patent data available for this compound.