CID 60705516

1250980-13-2

Structural Information

Molecular Formula
C10H13N5
SMILES
CNCC1=NN=NN1CC2=CC=CC=C2
InChI
InChI=1S/C10H13N5/c1-11-7-10-12-13-14-15(10)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
GDQRZUXAKVDDKC-UHFFFAOYSA-N
Compound name
1-(1-benzyltetrazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1171 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 144.1
[M+Na]+ 226.10632 152.6
[M-H]- 202.10982 145.7
[M+NH4]+ 221.15092 159.1
[M+K]+ 242.08026 149.0
[M+H-H2O]+ 186.11436 133.9
[M+HCOO]- 248.11530 166.3
[M+CH3COO]- 262.13095 156.1
[M+Na-2H]- 224.09177 151.5
[M]+ 203.11655 144.3
[M]- 203.11765 144.3
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.