CID 381022

Nsc667006

Structural Information

Molecular Formula
C9H17N3
SMILES
C1CN1CCCNCC#CCN
InChI
InChI=1S/C9H17N3/c10-4-1-2-5-11-6-3-7-12-8-9-12/h11H,3-10H2
InChIKey
NPBPFNWIKSGHFB-UHFFFAOYSA-N
Compound name
N'-[3-(aziridin-1-yl)propyl]but-2-yne-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.14224 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.14952 133.7
[M+Na]+ 190.13146 146.3
[M-H]- 166.13496 136.4
[M+NH4]+ 185.17606 147.5
[M+K]+ 206.10540 140.1
[M+H-H2O]+ 150.13950 123.2
[M+HCOO]- 212.14044 153.4
[M+CH3COO]- 226.15609 194.0
[M+Na-2H]- 188.11691 140.5
[M]+ 167.14169 131.0
[M]- 167.14279 131.0
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.