CID 12833029

Tetramethylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CC1(C(C1(C)C)C#N)C
InChI
InChI=1S/C8H13N/c1-7(2)6(5-9)8(7,3)4/h6H,1-4H3
InChIKey
RKURKRQKAOQDBG-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

123.1048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 120.5
[M+Na]+ 146.09402 138.1
[M-H]- 122.09752 128.6
[M+NH4]+ 141.13862 142.4
[M+K]+ 162.06796 133.7
[M+H-H2O]+ 106.10206 114.5
[M+HCOO]- 168.10300 142.1
[M+CH3COO]- 182.11865 190.5
[M+Na-2H]- 144.07947 130.0
[M]+ 123.10425 122.2
[M]- 123.10535 122.2
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