CID 117787

26389-60-6

Structural Information

Molecular Formula
C7H15N
SMILES
CCCNCC1CC1
InChI
InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3
InChIKey
MAVLRJDQJZJTQP-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

993
Patents

113.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 123.9
[M+Na]+ 136.10967 131.9
[M-H]- 112.11317 128.5
[M+NH4]+ 131.15427 141.7
[M+K]+ 152.08361 130.2
[M+H-H2O]+ 96.117710 118.0
[M+HCOO]- 158.11865 148.9
[M+CH3COO]- 172.13430 177.1
[M+Na-2H]- 134.09512 131.5
[M]+ 113.11990 126.0
[M]- 113.12100 126.0
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