CID 71743199

(1-(6-chloropyridin-3-yl)cyclopropyl)methanamine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CC1(CN)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-8-2-1-7(5-12-8)9(6-11)3-4-9/h1-2,5H,3-4,6,11H2
InChIKey
YZNUBCNBWKBCQQ-UHFFFAOYSA-N
Compound name
[1-(6-chloropyridin-3-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 136.2
[M+Na]+ 205.05030 146.8
[M-H]- 181.05380 142.0
[M+NH4]+ 200.09490 152.3
[M+K]+ 221.02424 142.6
[M+H-H2O]+ 165.05834 130.5
[M+HCOO]- 227.05928 155.7
[M+CH3COO]- 241.07493 149.5
[M+Na-2H]- 203.03575 143.9
[M]+ 182.06053 138.5
[M]- 182.06163 138.5
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.