CID 23297887

(2-tert-butyl-1,3-dioxolan-2-yl)methanamine

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C)C1(OCCO1)CN
InChI
InChI=1S/C8H17NO2/c1-7(2,3)8(6-9)10-4-5-11-8/h4-6,9H2,1-3H3
InChIKey
RIJRDQNAUXSTSJ-UHFFFAOYSA-N
Compound name
(2-tert-butyl-1,3-dioxolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

159.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 134.7
[M+Na]+ 182.11515 140.9
[M-H]- 158.11865 138.8
[M+NH4]+ 177.15975 156.2
[M+K]+ 198.08909 142.8
[M+H-H2O]+ 142.12319 131.0
[M+HCOO]- 204.12413 154.7
[M+CH3COO]- 218.13978 176.6
[M+Na-2H]- 180.10060 142.6
[M]+ 159.12538 134.1
[M]- 159.12648 134.1
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