CID 45792518

(cyclopropylmethyl)(2,2-dimethoxyethyl)amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
COC(CNCC1CC1)OC
InChI
InChI=1S/C8H17NO2/c1-10-8(11-2)6-9-5-7-3-4-7/h7-9H,3-6H2,1-2H3
InChIKey
NHGWIPBDFWJQFG-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-2,2-dimethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 135.5
[M+Na]+ 182.11515 142.8
[M-H]- 158.11865 139.8
[M+NH4]+ 177.15975 151.3
[M+K]+ 198.08909 141.7
[M+H-H2O]+ 142.12319 129.2
[M+HCOO]- 204.12413 159.5
[M+CH3COO]- 218.13978 184.5
[M+Na-2H]- 180.10060 141.1
[M]+ 159.12538 140.2
[M]- 159.12648 140.2
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