CID 22450444

120739-88-0

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CNCC1=C(N=CC=C1)Cl
InChI
InChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-10-7(6)8/h2-4,9H,5H2,1H3
InChIKey
IHVZCMZHYFPHSZ-UHFFFAOYSA-N
Compound name
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

156.04543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 129.2
[M+Na]+ 179.034648 138.3
[M-H]- 155.038154 131.5
[M+NH4]+ 174.079253 149.7
[M+K]+ 195.008588 134.8
[M+H-H2O]+ 139.042690 123.6
[M+HCOO]- 201.043631 149.5
[M+CH3COO]- 215.059281 177.7
[M+Na-2H]- 177.020096 137.7
[M]+ 156.04488142 130.4
[M]- 156.04597858 130.4
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

patents stripe