CID 27733

Heptylamine, n-cyclopropyl-n,1-dimethyl-

Structural Information

Molecular Formula
C12H25N
SMILES
CCCCCCC(C)N(C)C1CC1
InChI
InChI=1S/C12H25N/c1-4-5-6-7-8-11(2)13(3)12-9-10-12/h11-12H,4-10H2,1-3H3
InChIKey
AJEJCAGDSUVFMI-UHFFFAOYSA-N
Compound name
N-methyl-N-octan-2-ylcyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 146.1
[M+Na]+ 206.18792 151.9
[M-H]- 182.19142 151.3
[M+NH4]+ 201.23252 161.8
[M+K]+ 222.16186 150.7
[M+H-H2O]+ 166.19596 139.2
[M+HCOO]- 228.19690 169.0
[M+CH3COO]- 242.21255 195.7
[M+Na-2H]- 204.17337 149.1
[M]+ 183.19815 150.5
[M]- 183.19925 150.5
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.