CID 4721289

N-[(4-methoxyphenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C11H15NO/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKey
QVRKRVOSGOVKPC-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

106
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 135.7
[M+Na]+ 200.104588 144.3
[M-H]- 176.108094 143.4
[M+NH4]+ 195.149193 151.0
[M+K]+ 216.078528 141.5
[M+H-H2O]+ 160.112630 128.9
[M+HCOO]- 222.113571 161.5
[M+CH3COO]- 236.129221 187.0
[M+Na-2H]- 198.090036 143.2
[M]+ 177.11482142 138.6
[M]- 177.11591858 138.6
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