CID 22409

N-[(naphthalen-1-yl)methyl]guanidine hydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC=C2C(=C1)C=CC=C2CN=C(N)N
InChI
InChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChIKey
HNCIJEQEYCRDJX-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24
Patents

199.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 141.8
[M+Na]+ 222.10017 148.4
[M-H]- 198.10367 146.7
[M+NH4]+ 217.14477 161.4
[M+K]+ 238.07411 144.9
[M+H-H2O]+ 182.10821 134.8
[M+HCOO]- 244.10915 167.9
[M+CH3COO]- 258.12480 194.4
[M+Na-2H]- 220.08562 149.4
[M]+ 199.11040 138.4
[M]- 199.11150 138.4
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