CID 518069

Benzyl(cyclopropylmethyl)amine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC1CNCC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-12-9-11-6-7-11/h1-5,11-12H,6-9H2
InChIKey
QONMRPMQMVTSLW-UHFFFAOYSA-N
Compound name
N-benzyl-1-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

182
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.8
[M+Na]+ 184.10967 139.5
[M-H]- 160.11317 139.1
[M+NH4]+ 179.15427 147.4
[M+K]+ 200.08361 136.5
[M+H-H2O]+ 144.11771 125.0
[M+HCOO]- 206.11865 157.4
[M+CH3COO]- 220.13430 184.1
[M+Na-2H]- 182.09512 140.1
[M]+ 161.11990 132.9
[M]- 161.12100 132.9
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