CID 72628

6364-17-6

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1(NC2=CC=CC3=C2C(=CC=C3)N1)C
InChI
InChI=1S/C13H14N2/c1-13(2)14-10-7-3-5-9-6-4-8-11(15-13)12(9)10/h3-8,14-15H,1-2H3
InChIKey
DETLTZYXZWIXIB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dihydroperimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

60
Patents

198.11569 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 145.9
[M+Na]+ 221.10491 154.6
[M-H]- 197.10841 145.2
[M+NH4]+ 216.14951 165.7
[M+K]+ 237.07885 148.6
[M+H-H2O]+ 181.11295 138.5
[M+HCOO]- 243.11389 160.4
[M+CH3COO]- 257.12954 157.1
[M+Na-2H]- 219.09036 155.2
[M]+ 198.11514 142.2
[M]- 198.11624 142.2
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