CID 10044

2,2,3-trimethylbutane

Structural Information

Molecular Formula
C7H16
SMILES
CC(C)C(C)(C)C
InChI
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChIKey
ZISSAWUMDACLOM-UHFFFAOYSA-N
Compound name
2,2,3-trimethylbutane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5789
References

15966
Patents

100.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.13248 122.3
[M+Na]+ 123.11442 129.6
[M-H]- 99.117924 123.1
[M+NH4]+ 118.15902 146.2
[M+K]+ 139.08836 130.1
[M+H-H2O]+ 83.122460 119.0
[M+HCOO]- 145.12340 143.4
[M+CH3COO]- 159.13905 170.9
[M+Na-2H]- 121.09987 128.5
[M]+ 100.12465 122.9
[M]- 100.12575 122.9
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