CID 22612

6241-46-9

Structural Information

Molecular Formula
C9H13ClN2
SMILES
C1=CC=C(C(=C1)CNCCN)Cl
InChI
InChI=1S/C9H13ClN2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,12H,5-7,11H2
InChIKey
WTGFJEQTHKHUID-UHFFFAOYSA-N
Compound name
N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.07672 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 139.1
[M+Na]+ 207.06594 146.5
[M-H]- 183.06944 142.0
[M+NH4]+ 202.11054 159.1
[M+K]+ 223.03988 142.0
[M+H-H2O]+ 167.07398 133.8
[M+HCOO]- 229.07492 160.4
[M+CH3COO]- 243.09057 185.4
[M+Na-2H]- 205.05139 145.5
[M]+ 184.07617 138.8
[M]- 184.07727 138.8
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