CID 208770

2-propanol, 1-butoxy-3-(diethylamino)-

Structural Information

Molecular Formula
C11H25NO2
SMILES
CCCCOCC(CN(CC)CC)O
InChI
InChI=1S/C11H25NO2/c1-4-7-8-14-10-11(13)9-12(5-2)6-3/h11,13H,4-10H2,1-3H3
InChIKey
ZKNSJALVFQUKMS-UHFFFAOYSA-N
Compound name
1-butoxy-3-(diethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.18852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.195796 153.3
[M+Na]+ 226.177738 157.1
[M-H]- 202.181244 152.7
[M+NH4]+ 221.222343 172.2
[M+K]+ 242.151678 157.4
[M+H-H2O]+ 186.185780 147.3
[M+HCOO]- 248.186721 175.0
[M+CH3COO]- 262.202371 192.7
[M+Na-2H]- 224.163186 155.3
[M]+ 203.18797142 157.3
[M]- 203.18906858 157.3
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