CID 541754

57366-77-5

Structural Information

Molecular Formula
C5H11NO2
SMILES
CNCC1OCCO1
InChI
InChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKey
ZCCPVTVGEQLONB-UHFFFAOYSA-N
Compound name
1-(1,3-dioxolan-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

605
Patents

117.07898 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 122.6
[M+Na]+ 140.06820 128.6
[M-H]- 116.07170 127.0
[M+NH4]+ 135.11280 143.7
[M+K]+ 156.04214 131.0
[M+H-H2O]+ 100.07624 117.5
[M+HCOO]- 162.07718 145.7
[M+CH3COO]- 176.09283 168.9
[M+Na-2H]- 138.05365 130.8
[M]+ 117.07843 122.1
[M]- 117.07953 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe