CID 54090350

1-[2-(propan-2-yl)-1,3-dioxolan-2-yl]methanamine

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)C1(OCCO1)CN
InChI
InChI=1S/C7H15NO2/c1-6(2)7(5-8)9-3-4-10-7/h6H,3-5,8H2,1-2H3
InChIKey
MTKHSQUJDJZNRN-UHFFFAOYSA-N
Compound name
(2-propan-2-yl-1,3-dioxolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

145.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 131.9
[M+Na]+ 168.099498 137.7
[M-H]- 144.103004 135.9
[M+NH4]+ 163.144103 153.6
[M+K]+ 184.073438 139.8
[M+H-H2O]+ 128.107540 127.5
[M+HCOO]- 190.108481 152.7
[M+CH3COO]- 204.124131 174.8
[M+Na-2H]- 166.084946 138.0
[M]+ 145.10973142 130.8
[M]- 145.11082858 130.8
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