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]+ 156.17468 132.8
[M+Na]+ 178.15662 134.6
[M-H]- 154.16012 136.1
[M+NH4]+ 173.20122 151.8
[M+K]+ 194.13056 137.9
[M+H-H2O]+ 138.16466 127.7
[M+HCOO]- 200.16560 151.3
[M+CH3COO]- 214.18125 183.4
[M+Na-2H]- 176.14207 134.8
[M]+ 155.16685 123.8
[M]- 155.16795 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.