CID 12094059

N-propylcyclopropanamine

Structural Information

Molecular Formula
C6H13N
SMILES
CCCNC1CC1
InChI
InChI=1S/C6H13N/c1-2-5-7-6-3-4-6/h6-7H,2-5H2,1H3
InChIKey
DAOWJXCNVJBLNI-UHFFFAOYSA-N
Compound name
N-propylcyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 119.7
[M+Na]+ 122.09402 128.1
[M-H]- 98.097524 124.4
[M+NH4]+ 117.13862 138.0
[M+K]+ 138.06796 126.7
[M+H-H2O]+ 82.102060 114.0
[M+HCOO]- 144.10300 144.9
[M+CH3COO]- 158.11865 174.2
[M+Na-2H]- 120.07947 127.8
[M]+ 99.104251 121.4
[M]- 99.105349 121.4
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