CID 29502

1-(pyrrolidinomethyl)benzotriazole hydrochloride

Structural Information

Molecular Formula
C11H14N4
SMILES
C1CCN(C1)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C11H14N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKey
URXUWDKSGHWDFQ-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-1-ylmethyl)benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

202.12184 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 143.6
[M+Na]+ 225.11106 152.7
[M-H]- 201.11456 146.1
[M+NH4]+ 220.15566 161.7
[M+K]+ 241.08500 149.2
[M+H-H2O]+ 185.11910 134.0
[M+HCOO]- 247.12004 163.7
[M+CH3COO]- 261.13569 156.0
[M+Na-2H]- 223.09651 148.4
[M]+ 202.12129 143.1
[M]- 202.12239 143.1
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