CID 3034964

Usaf uctl-958

Structural Information

Molecular Formula
C7H13Cl2N3
SMILES
CC(C#N)(NCCCl)NCCCl
InChI
InChI=1S/C7H13Cl2N3/c1-7(6-10,11-4-2-8)12-5-3-9/h11-12H,2-5H2,1H3
InChIKey
OUCMRSWEOIFFJL-UHFFFAOYSA-N
Compound name
2,2-bis(2-chloroethylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04866 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05594 148.1
[M+Na]+ 232.03788 156.5
[M-H]- 208.04138 148.0
[M+NH4]+ 227.08248 165.7
[M+K]+ 248.01182 152.6
[M+H-H2O]+ 192.04592 138.3
[M+HCOO]- 254.04686 159.7
[M+CH3COO]- 268.06251 201.3
[M+Na-2H]- 230.02333 153.5
[M]+ 209.04811 145.0
[M]- 209.04921 145.0
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.