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: 212
Patents: 127.11095 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.11823	130.0
[M+Na]+	150.10017	135.4
[M-H]-	126.10367	130.8
[M+NH4]+	145.14477	151.4
[M+K]+	166.07411	135.0
[M+H-H2O]+	110.10821	124.2
[M+HCOO]-	172.10915	155.4
[M+CH3COO]-	186.12480	181.6
[M+Na-2H]-	148.08562	133.4
[M]+	127.11040	125.8
[M]-	127.11150	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe