CID 10997842

1-[2-(benzyloxy)ethyl]cyclopropan-1-amine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC1(CCOCC2=CC=CC=C2)N
InChI
InChI=1S/C12H17NO/c13-12(6-7-12)8-9-14-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKey
LIHZSLPGGSIALW-UHFFFAOYSA-N
Compound name
1-(2-phenylmethoxyethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 141.1
[M+Na]+ 214.120228 149.1
[M-H]- 190.123734 148.1
[M+NH4]+ 209.164833 157.2
[M+K]+ 230.094168 146.8
[M+H-H2O]+ 174.128270 135.0
[M+HCOO]- 236.129211 165.6
[M+CH3COO]- 250.144861 187.8
[M+Na-2H]- 212.105676 148.7
[M]+ 191.13046142 143.4
[M]- 191.13155858 143.4
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