CID 3340552

1,1,3,3-tetramethylcyclobutane

Structural Information

Molecular Formula
C8H16
SMILES
CC1(CC(C1)(C)C)C
InChI
InChI=1S/C8H16/c1-7(2)5-8(3,4)6-7/h5-6H2,1-4H3
InChIKey
VIJZZJKGTNSBLL-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

112.1252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 122.9
[M+Na]+ 135.11442 130.7
[M-H]- 111.11792 127.7
[M+NH4]+ 130.15902 143.8
[M+K]+ 151.08836 133.0
[M+H-H2O]+ 95.122460 116.5
[M+HCOO]- 157.12340 144.6
[M+CH3COO]- 171.13905 175.5
[M+Na-2H]- 133.09987 130.6
[M]+ 112.12465 131.8
[M]- 112.12575 131.8
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