CID 137346631

2731010-01-6

Structural Information

Molecular Formula
C8H13N3
SMILES
C#CCCC1(N=N1)CCCN
InChI
InChI=1S/C8H13N3/c1-2-3-5-8(10-11-8)6-4-7-9/h1H,3-7,9H2
InChIKey
WLBFPIISFPQQSE-UHFFFAOYSA-N
Compound name
3-(3-but-3-ynyldiazirin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.1
[M+Na]+ 174.10017 147.1
[M-H]- 150.10367 134.0
[M+NH4]+ 169.14477 147.2
[M+K]+ 190.07411 141.3
[M+H-H2O]+ 134.10821 122.0
[M+HCOO]- 196.10915 150.9
[M+CH3COO]- 210.12480 190.0
[M+Na-2H]- 172.08562 140.5
[M]+ 151.11040 131.7
[M]- 151.11150 131.7
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.