CID 3946979

1-(3-chloro-4-methoxyphenyl)-1-cyclopropylmethanamine hydrochloride

Structural Information

Molecular Formula
C11H14ClNO
SMILES
COC1=C(C=C(C=C1)C(C2CC2)N)Cl
InChI
InChI=1S/C11H14ClNO/c1-14-10-5-4-8(6-9(10)12)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3
InChIKey
VLKUEGZZRRTLQX-UHFFFAOYSA-N
Compound name
(3-chloro-4-methoxyphenyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 139.9
[M+Na]+ 234.06561 149.6
[M-H]- 210.06911 147.0
[M+NH4]+ 229.11021 154.6
[M+K]+ 250.03955 145.0
[M+H-H2O]+ 194.07365 134.3
[M+HCOO]- 256.07459 159.6
[M+CH3COO]- 270.09024 191.9
[M+Na-2H]- 232.05106 144.1
[M]+ 211.07584 143.5
[M]- 211.07694 143.5
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.