CID 10983

Galegine

Structural Information

Molecular Formula
C6H13N3
SMILES
CC(=CCN=C(N)N)C
InChI
InChI=1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)
InChIKey
UVMLHMAIUVSYOL-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

204
Patents

127.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.11823 129.6
[M+Na]+ 150.10017 136.7
[M+NH4]+ 145.14477 136.7
[M+K]+ 166.07411 132.5
[M-H]- 126.10367 130.2
[M+Na-2H]- 148.08562 132.4
[M]+ 127.11040 130.2
[M]- 127.11150 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe