CID 2723779

1-cyclopropyl-1-(4-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=C(C=C1)C(C2CC2)N
InChI
InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3
InChIKey
IVVASFZJFLBRPG-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.4
[M+Na]+ 200.10459 143.7
[M-H]- 176.10809 142.6
[M+NH4]+ 195.14919 150.3
[M+K]+ 216.07853 140.9
[M+H-H2O]+ 160.11263 128.8
[M+HCOO]- 222.11357 159.6
[M+CH3COO]- 236.12922 187.2
[M+Na-2H]- 198.09004 140.7
[M]+ 177.11482 136.7
[M]- 177.11592 136.7
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