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

19
Patents

159.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 134.7
[M+Na]+ 182.115148 140.9
[M-H]- 158.118654 138.8
[M+NH4]+ 177.159753 156.2
[M+K]+ 198.089088 142.8
[M+H-H2O]+ 142.123190 131.0
[M+HCOO]- 204.124131 154.7
[M+CH3COO]- 218.139781 176.6
[M+Na-2H]- 180.100596 142.6
[M]+ 159.12538142 134.1
[M]- 159.12647858 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