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]+ 184.205976 146.1
[M+Na]+ 206.187918 151.9
[M-H]- 182.191424 151.3
[M+NH4]+ 201.232523 161.8
[M+K]+ 222.161858 150.7
[M+H-H2O]+ 166.195960 139.2
[M+HCOO]- 228.196901 169.0
[M+CH3COO]- 242.212551 195.7
[M+Na-2H]- 204.173366 149.1
[M]+ 183.19815142 150.5
[M]- 183.19924858 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.