CID 102336443

2803863-40-1

Structural Information

Molecular Formula
C8H10N4
SMILES
C1=CC=C(C(=C1)CN)CN=[N+]=[N-]
InChI
InChI=1S/C8H10N4/c9-5-7-3-1-2-4-8(7)6-11-12-10/h1-4H,5-6,9H2
InChIKey
KQOATVVIZKDNEQ-UHFFFAOYSA-N
Compound name
[2-(azidomethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.09055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 130.1
[M+Na]+ 185.07977 136.6
[M-H]- 161.08327 136.0
[M+NH4]+ 180.12437 150.4
[M+K]+ 201.05371 130.4
[M+H-H2O]+ 145.08781 127.7
[M+HCOO]- 207.08875 162.1
[M+CH3COO]- 221.10440 183.6
[M+Na-2H]- 183.06522 140.8
[M]+ 162.09000 126.4
[M]- 162.09110 126.4
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

No patent data available for this compound.