CID 4639790

132553-13-0

Structural Information

Molecular Formula
C13H18N4O
SMILES
CCC(N1CCOCC1)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C13H18N4O/c1-2-13(16-7-9-18-10-8-16)17-12-6-4-3-5-11(12)14-15-17/h3-6,13H,2,7-10H2,1H3
InChIKey
XKTFTRZSEZZRNG-UHFFFAOYSA-N
Compound name
4-[1-(benzotriazol-1-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

246.14806 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 156.6
[M+Na]+ 269.13728 163.7
[M-H]- 245.14078 158.8
[M+NH4]+ 264.18188 169.4
[M+K]+ 285.11122 161.0
[M+H-H2O]+ 229.14532 146.1
[M+HCOO]- 291.14626 171.8
[M+CH3COO]- 305.16191 167.1
[M+Na-2H]- 267.12273 161.5
[M]+ 246.14751 155.7
[M]- 246.14861 155.7
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