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]+ 192.13829 141.1
[M+Na]+ 214.12023 149.1
[M-H]- 190.12373 148.1
[M+NH4]+ 209.16483 157.2
[M+K]+ 230.09417 146.8
[M+H-H2O]+ 174.12827 135.0
[M+HCOO]- 236.12921 165.6
[M+CH3COO]- 250.14486 187.8
[M+Na-2H]- 212.10568 148.7
[M]+ 191.13046 143.4
[M]- 191.13156 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.