CID 170513

Einecs 255-371-3

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1(C(=C)N(C2=C1C=CC=N2)C)C
InChI
InChI=1S/C11H14N2/c1-8-11(2,3)9-6-5-7-12-10(9)13(8)4/h5-7H,1H2,2-4H3
InChIKey
NGFQLLYOAHLAJX-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-methylidenepyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

174.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.9
[M+Na]+ 197.10491 148.0
[M-H]- 173.10841 139.5
[M+NH4]+ 192.14951 160.2
[M+K]+ 213.07885 144.6
[M+H-H2O]+ 157.11295 130.8
[M+HCOO]- 219.11389 157.7
[M+CH3COO]- 233.12954 182.5
[M+Na-2H]- 195.09036 142.6
[M]+ 174.11514 137.4
[M]- 174.11624 137.4
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