CID 135400445

Nsc644581

Structural Information

Molecular Formula
C10H11N5
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/N=C(N)N
InChI
InChI=1S/C10H11N5/c11-10(12)15-14-6-7-5-13-9-4-2-1-3-8(7)9/h1-6,13H,(H4,11,12,15)/b14-6+
InChIKey
PLOJIDIFSZLLJY-MKMNVTDBSA-N
Compound name
2-[(E)-1H-indol-3-ylmethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.10144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 139.1
[M+Na]+ 224.09066 146.8
[M-H]- 200.09416 143.4
[M+NH4]+ 219.13526 158.8
[M+K]+ 240.06460 143.3
[M+H-H2O]+ 184.09870 131.3
[M+HCOO]- 246.09964 168.0
[M+CH3COO]- 260.11529 194.4
[M+Na-2H]- 222.07611 147.1
[M]+ 201.10089 136.2
[M]- 201.10199 136.2
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

patents stripe