CID 12370447

1607290-11-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

C1CC2=CC=CC=C2C1N=C(N)N

InChI

InChI=1S/C10H13N3/c11-10(12)13-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H4,11,12,13)

InChIKey

HQUZQWAUUIAVQC-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-inden-1-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 175.11095 Da
Monoisotopic Mass: 0.8
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]+	176.11823	135.7
[M+Na]+	198.10017	141.9
[M-H]-	174.10367	140.6
[M+NH4]+	193.14477	158.0
[M+K]+	214.07411	139.3
[M+H-H2O]+	158.10821	129.3
[M+HCOO]-	220.10915	161.7
[M+CH3COO]-	234.12480	188.6
[M+Na-2H]-	196.08562	141.0
[M]+	175.11040	130.8
[M]-	175.11150	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe