CID 21719780

2,2,4-trimethylazetidine

Structural Information

Molecular Formula
C6H13N
SMILES
CC1CC(N1)(C)C
InChI
InChI=1S/C6H13N/c1-5-4-6(2,3)7-5/h5,7H,4H2,1-3H3
InChIKey
ATTVJWQVBUVDOP-UHFFFAOYSA-N
Compound name
2,2,4-trimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

99.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 120.9
[M+Na]+ 122.094018 128.1
[M-H]- 98.097524 122.4
[M+NH4]+ 117.138623 138.2
[M+K]+ 138.067958 129.9
[M+H-H2O]+ 82.102060 112.4
[M+HCOO]- 144.103001 140.4
[M+CH3COO]- 158.118651 169.6
[M+Na-2H]- 120.079466 127.7
[M]+ 99.10425142 127.3
[M]- 99.10534858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe