CID 20812588

N,2,2-trimethyl-1,3-dioxan-5-amine

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC1(OCC(CO1)NC)C
InChI
InChI=1S/C7H15NO2/c1-7(2)9-4-6(8-3)5-10-7/h6,8H,4-5H2,1-3H3
InChIKey
IWOTZIOSJAUQSI-UHFFFAOYSA-N
Compound name
N,2,2-trimethyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 130.4
[M+Na]+ 168.099498 136.6
[M-H]- 144.103004 135.2
[M+NH4]+ 163.144103 151.0
[M+K]+ 184.073438 139.0
[M+H-H2O]+ 128.107540 125.7
[M+HCOO]- 190.108481 150.8
[M+CH3COO]- 204.124131 176.0
[M+Na-2H]- 166.084946 139.4
[M]+ 145.10973142 129.3
[M]- 145.11082858 129.3
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