CID 16768425

1-(1-methylcyclopropyl)ethanamine

Structural Information

Molecular Formula
C6H13N
SMILES
CC(C1(CC1)C)N
InChI
InChI=1S/C6H13N/c1-5(7)6(2)3-4-6/h5H,3-4,7H2,1-2H3
InChIKey
DOAMTLHAIDSDBV-UHFFFAOYSA-N
Compound name
1-(1-methylcyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

99.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 119.8
[M+Na]+ 122.09402 128.6
[M-H]- 98.097524 124.5
[M+NH4]+ 117.13862 139.7
[M+K]+ 138.06796 128.1
[M+H-H2O]+ 82.102060 115.6
[M+HCOO]- 144.10300 143.1
[M+CH3COO]- 158.11865 173.8
[M+Na-2H]- 120.07947 126.7
[M]+ 99.104251 120.3
[M]- 99.105349 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe